2-(6-methylquinolin-2-yl)benzene-1,4-diol

C16H13NO2 — CID 136961373

IUPAC2-(6-methylquinolin-2-yl)benzene-1,4-diol
SMILESCc1ccc2nc(-c3cc(O)ccc3O)ccc2c1
InChIInChI=1S/C16H13NO2/c1-10-2-5-14-11(8-10)3-6-15(17-14)13-9-12(18)4-7-16(13)19/h2-9,18-19H,1H3
InChIKeyXBLLVLSLWCHPKT-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.62
Rot. Bonds1

About 2-(6-methylquinolin-2-yl)benzene-1,4-diol

2-(6-methylquinolin-2-yl)benzene-1,4-diol (PubChem CID 136961373) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(6-methylquinolin-2-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(6-methylquinolin-2-yl)benzene-1,4-diol
PubChem CID136961373
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name2-(6-methylquinolin-2-yl)benzene-1,4-diol
SMILESCc1ccc2nc(-c3cc(O)ccc3O)ccc2c1
InChIInChI=1S/C16H13NO2/c1-10-2-5-14-11(8-10)3-6-15(17-14)13-9-12(18)4-7-16(13)19/h2-9,18-19H,1H3
InChIKeyXBLLVLSLWCHPKT-UHFFFAOYSA-N
XLogP3.62
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylquinolin-2-yl)benzene-1,4-diol?
The IUPAC name of 2-(6-methylquinolin-2-yl)benzene-1,4-diol (CID 136961373) is 2-(6-methylquinolin-2-yl)benzene-1,4-diol.
What is the SMILES notation for 2-(6-methylquinolin-2-yl)benzene-1,4-diol?
The canonical SMILES for 2-(6-methylquinolin-2-yl)benzene-1,4-diol is Cc1ccc2nc(-c3cc(O)ccc3O)ccc2c1.
What is the InChIKey of 2-(6-methylquinolin-2-yl)benzene-1,4-diol?
The InChIKey is XBLLVLSLWCHPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-10-2-5-14-11(8-10)3-6-15(17-14)13-9-12(18)4-7-16(13)19/h2-9,18-19H,1H3.
What are the key properties of 2-(6-methylquinolin-2-yl)benzene-1,4-diol?
2-(6-methylquinolin-2-yl)benzene-1,4-diol has a molecular weight of 251.28 g/mol, XLogP of 3.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylquinolin-2-yl)benzene-1,4-diol is sourced from PubChem (CID 136961373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).